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See the Supporting Information for complete details
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See the Supporting Information for complete details.
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24
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46749151854
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Reference deleted at galley stage
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Reference deleted at galley stage.
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25
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0000200713
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46749127423
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Reference deleted at galley stage
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Reference deleted at galley stage.
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28
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46749084315
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Crystal data for 3·0.5C6H14: Orthorhombic, space group Pccn, a, 39.4630(7) Å b, 15.8829(3) Å, c, 19.1251(4) Å, V, 1987.4(4) Å3, Z, 8, μ(Mo Kα, 0.626 mm-1, Dc, 1.152 mg/mm3, GOF on F2, 1.179, R 1, 10.42, and wR2, 26.94, F2, all data, Data/restraints/parameters: 10 627/267/728. Out of a total of 66 852 reflections collected, 10 627 were unique (Rint, 9.71, and 9244 were observed with 7 > 2σI brown block, 0.22 x 0.17 x 0.15 mm, 25.07° ≥ θ ≥ 1.38°, The structure showed extensive disorder of the ligands and solvent, which was refined with a strong set of restraints and constraints to achieve convergence. The solvent carbon atoms remained isotropic. The structure was of marginal quality and should be unde
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int = 9.71%) and 9244 were observed with 7 > 2σI (brown block, 0.22 x 0.17 x 0.15 mm, 25.07° ≥ θ ≥ 1.38°). The structure showed extensive disorder of the ligands and solvent, which was refined with a strong set of restraints and constraints to achieve convergence. The solvent carbon atoms remained isotropic. The structure was of marginal quality and should be understood as proof of connectivity only. A number of systematically weak reflections and considerable TDS were observed in the diffraction pattern. A larger cell that includes the weak reflections can be indexed, which might be in super-subcell relation with the chosen cell.
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(a) Hendrich, M. P.; Gunderson, W.; Behan, R. K.; Green, M. T.; Mehn, M. P.; Betley, T. A.; Lu, C. C.; Peters, J. C. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 17107-17112.
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